2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene

C16H23Br — CID 83149719

IUPAC2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(C(Br)C(C)C2CC2)c1
InChIInChI=1S/C16H23Br/c1-4-12-6-7-13(5-2)15(10-12)16(17)11(3)14-8-9-14/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3
InChIKeyQXWCWOMKMKGFKO-UHFFFAOYSA-N
MW295.26 g/mol
LogP5.29
Rot. Bonds5

About 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene

2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene (PubChem CID 83149719) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene.

Molecular Properties

Compound Name2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene
PubChem CID83149719
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(C(Br)C(C)C2CC2)c1
InChIInChI=1S/C16H23Br/c1-4-12-6-7-13(5-2)15(10-12)16(17)11(3)14-8-9-14/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3
InChIKeyQXWCWOMKMKGFKO-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[bromo-(2,5-diethylphenyl)methyl]thiolane 1,1-dioxide
CID 64905612
(2,5-diethylphenyl)-(1,1-dioxothian-2-yl)methanol
CID 104521199
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
(2,5-diethylphenyl)-piperidin-2-ylmethanol
CID 64866605
2-(1-bromo-2,2,3,3-tetrafluoropropyl)-1,4-diethylbenzene
CID 79659672
(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
CID 64866398
4-(1-chloro-2-cyclopropylpropyl)-1,2-diethylbenzene
CID 83148211
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
2-[2-(1-bromo-2-oxopropyl)-4-ethylphenyl]acetic acid
CID 170837181
3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
4-bromo-2-(1-bromo-2-cyclopropylpropyl)-1-methoxybenzene
CID 83148078
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene?
The IUPAC name of 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene (CID 83149719) is 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene.
What is the SMILES notation for 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene?
The canonical SMILES for 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene is CCc1ccc(CC)c(C(Br)C(C)C2CC2)c1.
What is the InChIKey of 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene?
The InChIKey is QXWCWOMKMKGFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-4-12-6-7-13(5-2)15(10-12)16(17)11(3)14-8-9-14/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene?
2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene has a molecular weight of 295.26 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene is sourced from PubChem (CID 83149719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).